rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine
Compound characteristics
| Compound ID: | S997-0757 |
| Compound Name: | rel-(3aR,7aS)-2-(methanesulfonyl)-7a-(methoxymethyl)-5-[(6-methoxypyridin-2-yl)methyl]octahydro-1H-pyrrolo[3,4-c]pyridine |
| Molecular Weight: | 369.48 |
| Molecular Formula: | C17 H27 N3 O4 S |
| Smiles: | COC[C@]12CCN(Cc3cccc(n3)OC)C[C@@H]2CN(C1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1525 |
| logD: | -0.5506 |
| logSw: | -2.1296 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.32 |
| InChI Key: | ZYZMTDDFPHZHMX-RHSMWYFYSA-N |